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CAS 1000068-26-7

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1-(1,1-Dimethylethyl) 2-borono-6-fluoro-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-6-fluoro-1H-indole-1-carboxylate, with the CAS number 1000068-26-7, is a chemical compound that features a boron atom, a fluorine atom, and an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by its unique functional groups, including a boronate ester and a fluorinated moiety, which can impart specific reactivity and properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and biological activity. The indole framework is known for its significance in various biological systems and can serve as a scaffold for drug development. Additionally, the boron atom may participate in various chemical reactions, including cross-coupling reactions, making this compound of interest in synthetic organic chemistry. Overall, its structural features suggest potential applications in medicinal chemistry and materials science, particularly in the development of novel therapeutic agents or catalysts.
Formula:C13H15BFNO4
InChI:InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI key:InChIKey=GARRUKBUEWVRCV-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC=C(F)C2
Synonyms:
  • [6-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
  • 1-(1,1-Dimethylethyl) 2-borono-6-fluoro-1H-indole-1-carboxylate
  • [1-(tert-Butoxycarbonyl)-6-fluoro-2-indolyl]boronic acid
  • 1-Boc-6-Fluoro-1H-indole-2-boronic acid
  • 1H-Indole-1-carboxylic acid, 2-borono-6-fluoro-, 1-(1,1-dimethylethyl) ester
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